4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2-oxazole-3-carboxamide

C22H29N3O3 — CID 19444856

IUPAC4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(C)c(OCc2c(C(=O)NC3CC4CCC(C3)N4C)noc2C)c1
InChIInChI=1S/C22H29N3O3/c1-13-5-6-14(2)20(9-13)27-12-19-15(3)28-24-21(19)22(26)23-16-10-17-7-8-18(11-16)25(17)4/h5-6,9,16-18H,7-8,10-12H2,1-4H3,(H,23,26)
InChIKeyNJHVFZIKQYRTKH-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.53
Rot. Bonds5

About 4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2-oxazole-3-carboxamide

4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 19444856) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID19444856
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(C)c(OCc2c(C(=O)NC3CC4CCC(C3)N4C)noc2C)c1
InChIInChI=1S/C22H29N3O3/c1-13-5-6-14(2)20(9-13)27-12-19-15(3)28-24-21(19)22(26)23-16-10-17-7-8-18(11-16)25(17)4/h5-6,9,16-18H,7-8,10-12H2,1-4H3,(H,23,26)
InChIKeyNJHVFZIKQYRTKH-UHFFFAOYSA-N
XLogP3.53
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19442893
N-[2-(difluoromethoxy)phenyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444790
N-cycloheptyl-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488509
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444919
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444848
N-(5-bromo-2-pyridinyl)-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444657
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444865
4-[(2,4-dimethylphenoxy)methyl]-N-(2,5-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19484238
N-cycloheptyl-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492794
N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484141
4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 19444890
N-cyclohexyl-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
CID 19486426

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2-oxazole-3-carboxamide (CID 19444856) is 4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2-oxazole-3-carboxamide is Cc1ccc(C)c(OCc2c(C(=O)NC3CC4CCC(C3)N4C)noc2C)c1.
What is the InChIKey of 4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is NJHVFZIKQYRTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-13-5-6-14(2)20(9-13)27-12-19-15(3)28-24-21(19)22(26)23-16-10-17-7-8-18(11-16)25(17)4/h5-6,9,16-18H,7-8,10-12H2,1-4H3,(H,23,26).
What are the key properties of 4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2-oxazole-3-carboxamide?
4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19444856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).